Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks. - Louis Vanduyfhuys; Steven Vandenbrande; Jelle Wieme; Michel Waroquier; Toon Verstraelen; Veronique Van Speybroeck (J. Comput. Chem., 2018)

i-PI 2.0: A universal force engine for advanced molecular simulations. - Venkat Kapil; Mariana Rossi; Ondrej Marsalek; Riccardo Petraglia; Yair Litman; Thomas Spura; Bingqing Cheng; Alice Cuzzocrea; Robert H. Meißner; David M. Wilkins; Benjamin A. Helfrecht; Przemyslaw Juda; et al. (Comput. Phys. Commun., 2019)